6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

C₁₄H₁₃ClN₂O₂ — CID 55052826

About 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 55052826) has the molecular formula C₁₄H₁₃ClN₂O₂ and a molecular weight of 276.72 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
• PubChem CID: 55052826
• Molecular Formula: C₁₄H₁₃ClN₂O₂
• Molecular Weight: 276.72 g/mol
• Exact Mass: 276.07
• IUPAC Name: 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
• SMILES: O=C(NCCc1ccc(O)cc1)c1cccc(Cl)n1
• InChI: InChI=1S/C14H13ClN2O2/c15-13-3-1-2-12(17-13)14(19)16-9-8-10-4-6-11(18)7-5-10/h1-7,18H,8-9H2,(H,16,19)
• InChIKey: BOTIJBJIVBLPCV-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 62.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.72
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide (CID 55052826) is 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc(O)cc1)c1cccc(Cl)n1.

What is the InChIKey of 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide?

The InChIKey is BOTIJBJIVBLPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-3-1-2-12(17-13)14(19)16-9-8-10-4-6-11(18)7-5-10/h1-7,18H,8-9H2,(H,16,19).

What are the key properties of 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide?

6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 55052826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55052826 — identifiers, structure, computed properties (public domain)

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